1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol

C9H16F2O — CID 130578356

IUPAC1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol
SMILESCC1(CC(O)C(F)F)CCCC1
InChIInChI=1S/C9H16F2O/c1-9(4-2-3-5-9)6-7(12)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyYPCFXYJCORABIL-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.58
Rot. Bonds3

About 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol

1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol (PubChem CID 130578356) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol
PubChem CID130578356
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol
SMILESCC1(CC(O)C(F)F)CCCC1
InChIInChI=1S/C9H16F2O/c1-9(4-2-3-5-9)6-7(12)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyYPCFXYJCORABIL-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methylcyclohexyl)ethane-1,1-diol
CID 59872782
2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
CID 142227947
2-(1-methylcyclobutyl)-1-(1-methylcyclopentyl)ethanamine
CID 130602100
(1-methylcyclododecyl)methanol
CID 70130772
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
CID 123916834
1-amino-1-(2-ethynylphenoxy)-3-(1-methylcyclopentyl)propan-2-ol
CID 158052964
1-methyl-1-(2-propan-2-ylpentyl)cyclopentane
CID 147209819

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol (CID 130578356) is 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol is CC1(CC(O)C(F)F)CCCC1.
What is the InChIKey of 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol?
The InChIKey is YPCFXYJCORABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-9(4-2-3-5-9)6-7(12)8(10)11/h7-8,12H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol?
1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol has a molecular weight of 178.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1-methylcyclopentyl)propan-2-ol is sourced from PubChem (CID 130578356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).