trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane

C3Cl2F4 — CID 23235222

IUPACtrans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane
SMILESFC1(F)[C@](F)(Cl)[C@@]1(F)Cl
InChIInChI=1S/C3Cl2F4/c4-1(6)2(5,7)3(1,8)9/t1-,2-/m0/s1
InChIKeyWORCSMLDSVYWTB-LWMBPPNESA-N
MW182.93 g/mol
LogP2.44
Rot. Bonds

About trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane

trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane (PubChem CID 23235222) has the molecular formula C3Cl2F4 and a molecular weight of 182.93 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane
PubChem CID23235222
Molecular FormulaC3Cl2F4
Molecular Weight182.93 g/mol
Exact Mass181.93
IUPAC Nametrans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane
SMILESFC1(F)[C@](F)(Cl)[C@@]1(F)Cl
InChIInChI=1S/C3Cl2F4/c4-1(6)2(5,7)3(1,8)9/t1-,2-/m0/s1
InChIKeyWORCSMLDSVYWTB-LWMBPPNESA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.93
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Propane, 1,2-dichloro-1,1,2,3,3,3-hexafluoro-
CID 61193
Propane, 1,2,3-trichloro-1,1,2,3,3-pentafluoro-
CID 66155
1,2-Dichloro-1,2,3,3-tetrafluorocyclopropane
CID 21813596
1,1-Dichlorotetrafluorocyclopropane
CID 23235225
(2R)-1,1,2-trichloro-2,3,3-trifluorocyclopropane
CID 23233706
cis-(1R,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane
CID 23235221
1,1,2-Trichloro-2,3,3-trifluorocyclopropane
CID 15155215
1,2,3-Trichloro-1,2,3-trifluorocyclopropane
CID 19883767
1-Chloropentafluorocyclopropane
CID 23233207
(2R)-1,2-dichloro-1,1,2,3,3,3-hexafluoropropane
CID 57045428
(2S)-1,2-dichloro-1,1,2,3,3,3-hexafluoropropane
CID 25021517

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane?
The IUPAC name of trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane (CID 23235222) is trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane.
What is the SMILES notation for trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane?
The canonical SMILES for trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane is FC1(F)[C@](F)(Cl)[C@@]1(F)Cl.
What is the InChIKey of trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane?
The InChIKey is WORCSMLDSVYWTB-LWMBPPNESA-N. The full InChI is InChI=1S/C3Cl2F4/c4-1(6)2(5,7)3(1,8)9/t1-,2-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane?
trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane has a molecular weight of 182.93 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-dichloro-1,2,3,3-tetrafluorocyclopropane is sourced from PubChem (CID 23235222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).