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

C10H17ClF2 — CID 130487711

IUPAC3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
SMILESCC(C)C(Cl)CC1CCC(F)(F)C1
InChIInChI=1S/C10H17ClF2/c1-7(2)9(11)5-8-3-4-10(12,13)6-8/h7-9H,3-6H2,1-2H3
InChIKeyBWNCIVONERIZLN-UHFFFAOYSA-N
MW210.69 g/mol
LogP4.08
Rot. Bonds3

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

3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane (PubChem CID 130487711) has the molecular formula C10H17ClF2 and a molecular weight of 210.69 g/mol. Its IUPAC name is 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane.

Molecular Properties

Compound Name3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
PubChem CID130487711
Molecular FormulaC10H17ClF2
Molecular Weight210.69 g/mol
Exact Mass210.10
IUPAC Name3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
SMILESCC(C)C(Cl)CC1CCC(F)(F)C1
InChIInChI=1S/C10H17ClF2/c1-7(2)9(11)5-8-3-4-10(12,13)6-8/h7-9H,3-6H2,1-2H3
InChIKeyBWNCIVONERIZLN-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

3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 114225779
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 130487636

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane?
The IUPAC name of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane (CID 130487711) is 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane.
What is the SMILES notation for 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane?
The canonical SMILES for 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane is CC(C)C(Cl)CC1CCC(F)(F)C1.
What is the InChIKey of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane?
The InChIKey is BWNCIVONERIZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF2/c1-7(2)9(11)5-8-3-4-10(12,13)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane?
3-(2-chloro-3-methylbutyl)-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-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane is sourced from PubChem (CID 130487711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).