(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane

C3H2Cl2F4 — CID 102328647

IUPAC(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
SMILESFC([C@@H](F)Cl)C(F)(F)Cl
InChIInChI=1S/C3H2Cl2F4/c4-2(7)1(6)3(5,8)9/h1-2H/t1?,2-/m1/s1
InChIKeyLDZUGJKPSSIKOI-RJIDHLEBSA-N
MW184.95 g/mol
LogP2.69
Rot. Bonds2

About (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane

(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane (PubChem CID 102328647) has the molecular formula C3H2Cl2F4 and a molecular weight of 184.95 g/mol. Its IUPAC name is (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane.

Molecular Properties

Compound Name(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
PubChem CID102328647
Molecular FormulaC3H2Cl2F4
Molecular Weight184.95 g/mol
Exact Mass183.95
IUPAC Name(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
SMILESFC([C@@H](F)Cl)C(F)(F)Cl
InChIInChI=1S/C3H2Cl2F4/c4-2(7)1(6)3(5,8)9/h1-2H/t1?,2-/m1/s1
InChIKeyLDZUGJKPSSIKOI-RJIDHLEBSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.95
LogP ≤ 52.69
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

1,1,1,3-tetrachloro-2,3-difluoropropane
CID 163360426
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
2-chloro-1,2,2-trifluoroethanol
CID 57117523
1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
CID 57001137
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
chloro(difluoro)methane
CID 102425690

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane?
The IUPAC name of (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane (CID 102328647) is (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane.
What is the SMILES notation for (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane?
The canonical SMILES for (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane is FC([C@@H](F)Cl)C(F)(F)Cl.
What is the InChIKey of (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane?
The InChIKey is LDZUGJKPSSIKOI-RJIDHLEBSA-N. The full InChI is InChI=1S/C3H2Cl2F4/c4-2(7)1(6)3(5,8)9/h1-2H/t1?,2-/m1/s1.
What are the key properties of (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane?
(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane has a molecular weight of 184.95 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane is sourced from PubChem (CID 102328647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).