3-chloro-1,1,1-trifluoropropane

C3H4ClF3 — CID 10000

IUPAC3-chloro-1,1,1-trifluoropropane
SMILESFC(F)(F)CCCl
InChIInChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
InChIKeyZPIFKCVYZBVZIV-UHFFFAOYSA-N
MW132.51 g/mol
LogP2.18
Rot. Bonds1

About 3-chloro-1,1,1-trifluoropropane

3-chloro-1,1,1-trifluoropropane (PubChem CID 10000) has the molecular formula C3H4ClF3 and a molecular weight of 132.51 g/mol. Its IUPAC name is 3-chloro-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-chloro-1,1,1-trifluoropropane
PubChem CID10000
Molecular FormulaC3H4ClF3
Molecular Weight132.51 g/mol
Exact Mass132.00
IUPAC Name3-chloro-1,1,1-trifluoropropane
SMILESFC(F)(F)CCCl
InChIInChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
InChIKeyZPIFKCVYZBVZIV-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.51
LogP ≤ 52.18
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

3-Chloro-1,1,2,2-tetrafluoropropane
CID 120319
3-Chloro-1,1,1,2,2-Pentafluoropropane
CID 67905
1-Chloro-1,2,2,3,3-pentafluoropropane
CID 102464
1-Chloro-2,2-difluoropropane
CID 67896
1,3-Dichloro-1,1-difluoropropane
CID 69959
2-Chloro-1,1-difluoropropane
CID 101672
1-Chloro-3-fluoropropane
CID 11829371
2-Chloro-1,1,1-trifluoropropane
CID 14292221
4-Chloro-1,1,1-trifluorobutane
CID 580950
3-Chloro-1,1,1,3-tetrafluoropropane
CID 2782294
1,3-Dichloro-2,2-difluoropropane
CID 10855631
3-Chloro-1,1,1-trifluorobutane
CID 53799305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,1-trifluoropropane?
The IUPAC name of 3-chloro-1,1,1-trifluoropropane (CID 10000) is 3-chloro-1,1,1-trifluoropropane.
What is the SMILES notation for 3-chloro-1,1,1-trifluoropropane?
The canonical SMILES for 3-chloro-1,1,1-trifluoropropane is FC(F)(F)CCCl.
What is the InChIKey of 3-chloro-1,1,1-trifluoropropane?
The InChIKey is ZPIFKCVYZBVZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2.
What are the key properties of 3-chloro-1,1,1-trifluoropropane?
3-chloro-1,1,1-trifluoropropane has a molecular weight of 132.51 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1-trifluoropropane is sourced from PubChem (CID 10000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).