(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium

C10H11ClF3N2O+ — CID 11230920

IUPAC(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium
SMILESCC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1/C(O)=C/[N+]#N
InChIInChI=1S/C10H10ClF3N2O/c1-9(2)5(3-7(11)10(12,13)14)8(9)6(17)4-16-15/h3-5,8H,1-2H3/p+1/b6-4-,7-3+/t5-,8-/m1/s1
InChIKeyJBLXELHSKQISBB-KERYVWNESA-O
MW267.66 g/mol
LogP4.20
Rot. Bonds2

About (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium

(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium (PubChem CID 11230920) has the molecular formula C10H11ClF3N2O+ and a molecular weight of 267.66 g/mol. Its IUPAC name is (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium
PubChem CID11230920
Molecular FormulaC10H11ClF3N2O+
Molecular Weight267.66 g/mol
Exact Mass267.05
IUPAC Name(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium
SMILESCC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1/C(O)=C/[N+]#N
InChIInChI=1S/C10H10ClF3N2O/c1-9(2)5(3-7(11)10(12,13)14)8(9)6(17)4-16-15/h3-5,8H,1-2H3/p+1/b6-4-,7-3+/t5-,8-/m1/s1
InChIKeyJBLXELHSKQISBB-KERYVWNESA-O
XLogP4.20
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 11983901
cis-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 86736786
trans-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154317838
cis-(1R,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154081541
1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone
CID 101253634
3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl isothiocyanate
CID 153200125
cis-(1S,3R)-3-(2,3-dichloro-3,3-difluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 86737384
cis-(2S,3R)-2-(bromomethyl)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
CID 167736840
[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropyl]methanamine
CID 123866983
[3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-(1H-pyrrol-2-yl)methanone
CID 11220035
3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid;1,2-oxazole-3-carboxylic acid
CID 159564630
(1S,3S)-2,2-dimethyl-3-(2,3,3,3-tetrachloroprop-1-enyl)cyclopropane-1-carboxylic acid
CID 173397497

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium?
The IUPAC name of (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium (CID 11230920) is (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium.
What is the SMILES notation for (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium?
The canonical SMILES for (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium is CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@@H]1/C(O)=C/[N+]#N.
What is the InChIKey of (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium?
The InChIKey is JBLXELHSKQISBB-KERYVWNESA-O. The full InChI is InChI=1S/C10H10ClF3N2O/c1-9(2)5(3-7(11)10(12,13)14)8(9)6(17)4-16-15/h3-5,8H,1-2H3/p+1/b6-4-,7-3+/t5-,8-/m1/s1.
What are the key properties of (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium?
(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium has a molecular weight of 267.66 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium is sourced from PubChem (CID 11230920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).