1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol

C14H18ClFO — CID 107883637

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFO/c1-13(2)6-3-7-14(13,17)9-10-4-5-11(15)12(16)8-10/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyDWYYXXSURJRYHY-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol

1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 107883637) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID107883637
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFO/c1-13(2)6-3-7-14(13,17)9-10-4-5-11(15)12(16)8-10/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyDWYYXXSURJRYHY-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]-4,4-dimethylthian-3-ol
CID 114012564
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862217
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 107883733
4-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 114012555
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol (CID 107883637) is 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is DWYYXXSURJRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-13(2)6-3-7-14(13,17)9-10-4-5-11(15)12(16)8-10/h4-5,8,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol?
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 256.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 107883637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).