(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol

C14H19FO — CID 107191966

IUPAC(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
SMILESCC1(C)CCCC1C(O)c1cccc(F)c1
InChIInChI=1S/C14H19FO/c1-14(2)8-4-7-12(14)13(16)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16H,4,7-8H2,1-2H3
InChIKeyKRFLXZCMMVEQKO-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.69
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol

(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol (PubChem CID 107191966) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
PubChem CID107191966
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
SMILESCC1(C)CCCC1C(O)c1cccc(F)c1
InChIInChI=1S/C14H19FO/c1-14(2)8-4-7-12(14)13(16)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16H,4,7-8H2,1-2H3
InChIKeyKRFLXZCMMVEQKO-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107181761
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(S)-(3-fluorophenyl)-[(6S)-spiro[2.4]heptan-6-yl]methanol
CID 165040005
(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

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol (CID 107191966) is (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol is CC1(C)CCCC1C(O)c1cccc(F)c1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol?
The InChIKey is KRFLXZCMMVEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-14(2)8-4-7-12(14)13(16)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16H,4,7-8H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol?
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol has a molecular weight of 222.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 107191966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).