(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane

C5H6ClF — CID 134934177

IUPAC(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane
SMILESC=C[C@@H]1CC1(F)Cl
InChIInChI=1S/C5H6ClF/c1-2-4-3-5(4,6)7/h2,4H,1,3H2/t4-,5?/m1/s1
InChIKeyYEVZFFNQDKZDAS-CNZKWPKMSA-N
MW120.55 g/mol
LogP2.10
Rot. Bonds1

About (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane

(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane (PubChem CID 134934177) has the molecular formula C5H6ClF and a molecular weight of 120.55 g/mol. Its IUPAC name is (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane.

Molecular Properties

Compound Name(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane
PubChem CID134934177
Molecular FormulaC5H6ClF
Molecular Weight120.55 g/mol
Exact Mass120.01
IUPAC Name(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane
SMILESC=C[C@@H]1CC1(F)Cl
InChIInChI=1S/C5H6ClF/c1-2-4-3-5(4,6)7/h2,4H,1,3H2/t4-,5?/m1/s1
InChIKeyYEVZFFNQDKZDAS-CNZKWPKMSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.55
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1,2-difluorocyclopropane
CID 69232639
2-ethenyl-1,1,4-trifluorocyclobutane
CID 543163
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
CID 72943153
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
CID 72943152
1,1-ditert-butyl-2-ethenylcyclopropane
CID 59716985
trans-(1S,2R)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 57468327
1-chloro-2-cyclopropyl-1-fluorocyclopropane
CID 134853873
cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile
CID 97000127
2-ethenyl-1,1-bis(methylsulfonyl)cyclopropane
CID 13298799
(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
CID 11240580
1,1-dichloro-2-propa-1,2-dienylcyclopropane
CID 134977576
(1R,4S,5R)-1,2,3,4,7,7-hexachloro-5-[(1E)-hexa-1,5-dienyl]bicyclo[2.2.1]hept-2-ene
CID 20841370

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane?
The IUPAC name of (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane (CID 134934177) is (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane.
What is the SMILES notation for (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane?
The canonical SMILES for (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane is C=C[C@@H]1CC1(F)Cl.
What is the InChIKey of (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane?
The InChIKey is YEVZFFNQDKZDAS-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H6ClF/c1-2-4-3-5(4,6)7/h2,4H,1,3H2/t4-,5?/m1/s1.
What are the key properties of (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane?
(2S)-1-chloro-2-ethenyl-1-fluorocyclopropane has a molecular weight of 120.55 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-2-ethenyl-1-fluorocyclopropane is sourced from PubChem (CID 134934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).