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

C10H17ClF2 — CID 127017203

IUPAC2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
SMILESCC(C)(CCl)CC1CCCC1(F)F
InChIInChI=1S/C10H17ClF2/c1-9(2,7-11)6-8-4-3-5-10(8,12)13/h8H,3-7H2,1-2H3
InChIKeyNCOZLGAALGJUCM-UHFFFAOYSA-N
MW210.69 g/mol
LogP4.08
Rot. Bonds3

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

2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane (PubChem CID 127017203) has the molecular formula C10H17ClF2 and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane.

Molecular Properties

Compound Name2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
PubChem CID127017203
Molecular FormulaC10H17ClF2
Molecular Weight210.69 g/mol
Exact Mass210.10
IUPAC Name2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
SMILESCC(C)(CCl)CC1CCCC1(F)F
InChIInChI=1S/C10H17ClF2/c1-9(2,7-11)6-8-4-3-5-10(8,12)13/h8H,3-7H2,1-2H3
InChIKeyNCOZLGAALGJUCM-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

11-Chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane
CID 20726836
4-Chloro-5-ethyl-3,3,4-trifluoro-2,5-dimethylheptane
CID 87075229
4-Chloro-3-ethyl-4,5,5-trifluoro-3,6,6-trimethyloctane
CID 88870148
4-Chloro-3,3,4-trifluoro-2,5,5-trimethylheptane
CID 117980573
5-Chloro-3-ethyl-4,4,5-trifluoro-3,6,6-trimethyloctane
CID 118349942
4-Chloro-3,6-diethyl-4,5,5-trifluoro-3,6-dimethyloctane
CID 118376812
4-Chloro-4,5,5-trifluoro-3,3,6,6-tetramethyloctane
CID 122634395
3-Chloro-3,4,4-trifluoro-2,5,5-trimethylheptane
CID 124185103
(4R)-4-chloro-3,6-diethyl-4,5,5-trifluoro-3,6-dimethyloctane
CID 132263743
6-Chloro-2,4-difluoro-3-methyloctane
CID 134447906
3-Chloro-7-methyl-4-(trifluoromethyl)nonane
CID 137400684
5-Chloro-6-(trifluoromethyl)decane
CID 142730959

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
The IUPAC name of 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane (CID 127017203) is 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane.
What is the SMILES notation for 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
The canonical SMILES for 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane is CC(C)(CCl)CC1CCCC1(F)F.
What is the InChIKey of 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
The InChIKey is NCOZLGAALGJUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF2/c1-9(2,7-11)6-8-4-3-5-10(8,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane?
2-(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 2-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane is sourced from PubChem (CID 127017203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).