3-chloro-1,1,2,5-tetrafluoropentane

C5H7ClF4 — CID 156540413

IUPAC3-chloro-1,1,2,5-tetrafluoropentane
SMILESFCCC(Cl)C(F)C(F)F
InChIInChI=1S/C5H7ClF4/c6-3(1-2-7)4(8)5(9)10/h3-5H,1-2H2
InChIKeyIUHRVQCXHRTTCD-UHFFFAOYSA-N
MW178.56 g/mol
LogP2.56
Rot. Bonds4

About 3-chloro-1,1,2,5-tetrafluoropentane

3-chloro-1,1,2,5-tetrafluoropentane (PubChem CID 156540413) has the molecular formula C5H7ClF4 and a molecular weight of 178.56 g/mol. Its IUPAC name is 3-chloro-1,1,2,5-tetrafluoropentane.

Molecular Properties

Compound Name3-chloro-1,1,2,5-tetrafluoropentane
PubChem CID156540413
Molecular FormulaC5H7ClF4
Molecular Weight178.56 g/mol
Exact Mass178.02
IUPAC Name3-chloro-1,1,2,5-tetrafluoropentane
SMILESFCCC(Cl)C(F)C(F)F
InChIInChI=1S/C5H7ClF4/c6-3(1-2-7)4(8)5(9)10/h3-5H,1-2H2
InChIKeyIUHRVQCXHRTTCD-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloro-1,1,2,5-tetrafluoropentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1,4-difluorobutan-1-ol
CID 175305281
1-chloro-3-fluoropropan-1-amine
CID 57323075
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
CID 173311743
1,1-dichloro-4-fluorobutane
CID 22321169
(2S,3R)-1,3-dichloro-2,4-difluorobutane
CID 55301115
1-bromo-2,4-difluorobutane
CID 84654528
1,2,4-trifluorobutane-1-thiol
CID 139415886
1-[2-(3,5-dimethylphenyl)-3,5-difluoro-1-(1,2,3,3-tetrafluoropropyl)pentyl]-3,5-dimethylbenzene
CID 174934779
chloro(difluoro)methane
CID 102425690
(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane
CID 131850502
2,4-difluorobutanenitrile
CID 175233038
3-ethoxy-1,5-difluoropentane
CID 54263170

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,2,5-tetrafluoropentane?
The IUPAC name of 3-chloro-1,1,2,5-tetrafluoropentane (CID 156540413) is 3-chloro-1,1,2,5-tetrafluoropentane.
What is the SMILES notation for 3-chloro-1,1,2,5-tetrafluoropentane?
The canonical SMILES for 3-chloro-1,1,2,5-tetrafluoropentane is FCCC(Cl)C(F)C(F)F.
What is the InChIKey of 3-chloro-1,1,2,5-tetrafluoropentane?
The InChIKey is IUHRVQCXHRTTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF4/c6-3(1-2-7)4(8)5(9)10/h3-5H,1-2H2.
What are the key properties of 3-chloro-1,1,2,5-tetrafluoropentane?
3-chloro-1,1,2,5-tetrafluoropentane has a molecular weight of 178.56 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,2,5-tetrafluoropentane is sourced from PubChem (CID 156540413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).