(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol

C14H18F2O — CID 107192212

IUPAC(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2O/c1-14(2)5-3-4-12(14)13(17)9-6-10(15)8-11(16)7-9/h6-8,12-13,17H,3-5H2,1-2H3
InChIKeyMFXXPZVVLRVWKA-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.82
Rot. Bonds2

About (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol

(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107192212) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
PubChem CID107192212
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H18F2O/c1-14(2)5-3-4-12(14)13(17)9-6-10(15)8-11(16)7-9/h6-8,12-13,17H,3-5H2,1-2H3
InChIKeyMFXXPZVVLRVWKA-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845
(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107181761
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181582
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181693
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181706
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol (CID 107192212) is (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol is CC1(C)CCCC1C(O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is MFXXPZVVLRVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-14(2)5-3-4-12(14)13(17)9-6-10(15)8-11(16)7-9/h6-8,12-13,17H,3-5H2,1-2H3.
What are the key properties of (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol has a molecular weight of 240.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107192212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).