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

C13H18ClFO — CID 107895015

IUPAC2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFO/c1-9(2)13(3,8-16)7-10-4-5-11(14)12(15)6-10/h4-6,9,16H,7-8H2,1-3H3
InChIKeySDTROACVUOSSNM-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.68
Rot. Bonds4

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

2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol (PubChem CID 107895015) has the molecular formula C13H18ClFO and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
PubChem CID107895015
Molecular FormulaC13H18ClFO
Molecular Weight244.74 g/mol
Exact Mass244.10
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFO/c1-9(2)13(3,8-16)7-10-4-5-11(14)12(15)6-10/h4-6,9,16H,7-8H2,1-3H3
InChIKeySDTROACVUOSSNM-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 107897588
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
2-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 82935794
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
1-amino-2-[(4-chloro-3-fluorophenyl)methyl]butan-2-ol
CID 107883693
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylbutanenitrile
CID 107898493

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol (CID 107895015) is 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol is CC(C)C(C)(CO)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
The InChIKey is SDTROACVUOSSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO/c1-9(2)13(3,8-16)7-10-4-5-11(14)12(15)6-10/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol has a molecular weight of 244.74 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 107895015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).