trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane

C3HClF4 — CID 23261783

IUPACtrans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane
SMILESF[C@@H]1C(F)(F)[C@@]1(F)Cl
InChIInChI=1S/C3HClF4/c4-2(6)1(5)3(2,7)8/h1H/t1-,2+/m0/s1
InChIKeyYJCGXNXJGWGRMR-NHYDCYSISA-N
MW148.49 g/mol
LogP1.88
Rot. Bonds

About trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane

trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane (PubChem CID 23261783) has the molecular formula C3HClF4 and a molecular weight of 148.49 g/mol. Its IUPAC name is trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane.

Molecular Properties

Compound Nametrans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane
PubChem CID23261783
Molecular FormulaC3HClF4
Molecular Weight148.49 g/mol
Exact Mass147.97
IUPAC Nametrans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane
SMILESF[C@@H]1C(F)(F)[C@@]1(F)Cl
InChIInChI=1S/C3HClF4/c4-2(6)1(5)3(2,7)8/h1H/t1-,2+/m0/s1
InChIKeyYJCGXNXJGWGRMR-NHYDCYSISA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane?
The IUPAC name of trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane (CID 23261783) is trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane.
What is the SMILES notation for trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane?
The canonical SMILES for trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane is F[C@@H]1C(F)(F)[C@@]1(F)Cl.
What is the InChIKey of trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane?
The InChIKey is YJCGXNXJGWGRMR-NHYDCYSISA-N. The full InChI is InChI=1S/C3HClF4/c4-2(6)1(5)3(2,7)8/h1H/t1-,2+/m0/s1.
What are the key properties of trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane?
trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane has a molecular weight of 148.49 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-chloro-1,2,2,3-tetrafluorocyclopropane is sourced from PubChem (CID 23261783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).