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

C14H18BrFO — CID 107193133

IUPAC(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cccc(Br)c1F
InChIInChI=1S/C14H18BrFO/c1-14(2)8-4-6-10(14)13(17)9-5-3-7-11(15)12(9)16/h3,5,7,10,13,17H,4,6,8H2,1-2H3
InChIKeyBQCYNKDSUIEIDN-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.45
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107193133) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
PubChem CID107193133
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cccc(Br)c1F
InChIInChI=1S/C14H18BrFO/c1-14(2)8-4-6-10(14)13(17)9-5-3-7-11(15)12(9)16/h3,5,7,10,13,17H,4,6,8H2,1-2H3
InChIKeyBQCYNKDSUIEIDN-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
CID 106831073
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181881
(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 106645178
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181706
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
CID 106645189

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol (CID 107193133) is (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol is CC1(C)CCCC1C(O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is BQCYNKDSUIEIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-14(2)8-4-6-10(14)13(17)9-5-3-7-11(15)12(9)16/h3,5,7,10,13,17H,4,6,8H2,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol?
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol has a molecular weight of 301.20 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107193133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).