1-chloro-3-fluoropropane

C3H6ClF — CID 11829371

IUPAC1-chloro-3-fluoropropane
SMILESFCCCCl
InChIInChI=1S/C3H6ClF/c4-2-1-3-5/h1-3H2
InChIKeyPFDZQZAOZNELDX-UHFFFAOYSA-N
MW96.53 g/mol
LogP1.58
Rot. Bonds2

About 1-chloro-3-fluoropropane

1-chloro-3-fluoropropane (PubChem CID 11829371) has the molecular formula C3H6ClF and a molecular weight of 96.53 g/mol. Its IUPAC name is 1-chloro-3-fluoropropane.

Molecular Properties

Compound Name1-chloro-3-fluoropropane
PubChem CID11829371
Molecular FormulaC3H6ClF
Molecular Weight96.53 g/mol
Exact Mass96.01
IUPAC Name1-chloro-3-fluoropropane
SMILESFCCCCl
InChIInChI=1S/C3H6ClF/c4-2-1-3-5/h1-3H2
InChIKeyPFDZQZAOZNELDX-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.53
LogP ≤ 51.58
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-Chloro-2-fluoroethane
CID 12983
3-Chloro-1,1,1-trifluoropropane
CID 10000
1,3-Dichloro-2-fluoropropane
CID 12927174
1-Chloro-2-fluoropropane
CID 12545922
1,2,3-Trichloro-2-fluoropropane
CID 12641672
Propane, 1-chloro-1-fluoro-
CID 150183
2-Chloro-1,3-difluoropropane
CID 557081
1,1,3-Trichloro-1-fluoropropane
CID 2782620
1-Chloro-2,3-difluoropropane
CID 12927176
2-Chloro-1-fluoropropane
CID 14961194
rel-(1R,2R)-1,2,3-Trichloro-1-fluoropropane
CID 23235019
HCFC-251da
CID 131062658

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoropropane?
The IUPAC name of 1-chloro-3-fluoropropane (CID 11829371) is 1-chloro-3-fluoropropane.
What is the SMILES notation for 1-chloro-3-fluoropropane?
The canonical SMILES for 1-chloro-3-fluoropropane is FCCCCl.
What is the InChIKey of 1-chloro-3-fluoropropane?
The InChIKey is PFDZQZAOZNELDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClF/c4-2-1-3-5/h1-3H2.
What are the key properties of 1-chloro-3-fluoropropane?
1-chloro-3-fluoropropane has a molecular weight of 96.53 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoropropane is sourced from PubChem (CID 11829371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).