3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane

C10H17ClF2 — CID 130487636

IUPAC3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
SMILESCC(C)(CCl)CC1CCC(F)(F)C1
InChIInChI=1S/C10H17ClF2/c1-9(2,7-11)5-8-3-4-10(12,13)6-8/h8H,3-7H2,1-2H3
InChIKeyDAOVEFPWKVLJRL-UHFFFAOYSA-N
MW210.69 g/mol
LogP4.08
Rot. Bonds3

About 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane

3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane (PubChem CID 130487636) has the molecular formula C10H17ClF2 and a molecular weight of 210.69 g/mol. Its IUPAC name is 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane.

Molecular Properties

Compound Name3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
PubChem CID130487636
Molecular FormulaC10H17ClF2
Molecular Weight210.69 g/mol
Exact Mass210.10
IUPAC Name3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
SMILESCC(C)(CCl)CC1CCC(F)(F)C1
InChIInChI=1S/C10H17ClF2/c1-9(2,7-11)5-8-3-4-10(12,13)6-8/h8H,3-7H2,1-2H3
InChIKeyDAOVEFPWKVLJRL-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 54.08
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-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 127017203
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
3-[(3,3-difluorocyclopentyl)methyl]-3-hydroxy-2,2-dimethylpentanoic acid
CID 123297799
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
4-tert-butyl-1-chloro-2-[(3,3-difluorocyclopentyl)methyl]cyclohexane
CID 114225012
2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol
CID 114225416
2-[(3,3-difluorocyclopentyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 114225119
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide
CID 67530857

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
The IUPAC name of 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane (CID 130487636) is 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane.
What is the SMILES notation for 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
The canonical SMILES for 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane is CC(C)(CCl)CC1CCC(F)(F)C1.
What is the InChIKey of 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
The InChIKey is DAOVEFPWKVLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF2/c1-9(2,7-11)5-8-3-4-10(12,13)6-8/h8H,3-7H2,1-2H3.
What are the key properties of 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane has a molecular weight of 210.69 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane is sourced from PubChem (CID 130487636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).