1,2-difluorocyclopentane-1-carbonyl chloride

C6H7ClF2O — CID 87187627

IUPAC1,2-difluorocyclopentane-1-carbonyl chloride
SMILESO=C(Cl)C1(F)CCCC1F
InChIInChI=1S/C6H7ClF2O/c7-5(10)6(9)3-1-2-4(6)8/h4H,1-3H2
InChIKeyZRMSLBFJGSIDBD-UHFFFAOYSA-N
MW168.57 g/mol
LogP1.98
Rot. Bonds1

About 1,2-difluorocyclopentane-1-carbonyl chloride

1,2-difluorocyclopentane-1-carbonyl chloride (PubChem CID 87187627) has the molecular formula C6H7ClF2O and a molecular weight of 168.57 g/mol. Its IUPAC name is 1,2-difluorocyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Name1,2-difluorocyclopentane-1-carbonyl chloride
PubChem CID87187627
Molecular FormulaC6H7ClF2O
Molecular Weight168.57 g/mol
Exact Mass168.02
IUPAC Name1,2-difluorocyclopentane-1-carbonyl chloride
SMILESO=C(Cl)C1(F)CCCC1F
InChIInChI=1S/C6H7ClF2O/c7-5(10)6(9)3-1-2-4(6)8/h4H,1-3H2
InChIKeyZRMSLBFJGSIDBD-UHFFFAOYSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.57
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1,2-difluorocyclopentyl)carbamic acid
CID 67128390
trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
CID 119094489
carbonyl dichloride;fluorocyclobutane
CID 158358387
pentacyclo[6.6.6.02,7.09,14.015,20]icosane-1,8-dicarbonyl chloride
CID 91740061
1-fluoro-2-hydroxycyclohexane-1-carboxylic acid
CID 19783093
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
(1,2-difluorocyclopentyl)methanamine
CID 84762418
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
1,2-difluorocyclobutan-1-ol
CID 54197601
2-methylcyclohexane-1,1-dicarbonyl chloride
CID 87557674
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
(1R,6S)-bicyclo[4.1.0]heptane-1-carbonyl chloride
CID 98072133

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclopentane-1-carbonyl chloride?
The IUPAC name of 1,2-difluorocyclopentane-1-carbonyl chloride (CID 87187627) is 1,2-difluorocyclopentane-1-carbonyl chloride.
What is the SMILES notation for 1,2-difluorocyclopentane-1-carbonyl chloride?
The canonical SMILES for 1,2-difluorocyclopentane-1-carbonyl chloride is O=C(Cl)C1(F)CCCC1F.
What is the InChIKey of 1,2-difluorocyclopentane-1-carbonyl chloride?
The InChIKey is ZRMSLBFJGSIDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2O/c7-5(10)6(9)3-1-2-4(6)8/h4H,1-3H2.
What are the key properties of 1,2-difluorocyclopentane-1-carbonyl chloride?
1,2-difluorocyclopentane-1-carbonyl chloride has a molecular weight of 168.57 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorocyclopentane-1-carbonyl chloride is sourced from PubChem (CID 87187627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).