1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol

C14H20ClFO — CID 114280035

IUPAC1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol
SMILESCC(C)CCC(C)(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFO/c1-10(2)6-7-14(3,17)9-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyLFDHIDJCENAUEE-UHFFFAOYSA-N
MW258.76 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol

1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol (PubChem CID 114280035) has the molecular formula C14H20ClFO and a molecular weight of 258.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol
PubChem CID114280035
Molecular FormulaC14H20ClFO
Molecular Weight258.76 g/mol
Exact Mass258.12
IUPAC Name1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol
SMILESCC(C)CCC(C)(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFO/c1-10(2)6-7-14(3,17)9-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyLFDHIDJCENAUEE-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 114861726
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
4-chloro-1-[2-(chloromethyl)-2,3-dimethylbutyl]-2-fluorobenzene
CID 114862097
1-[2,2-bis(chloromethyl)-4-methylpentyl]-4-chloro-2-fluorobenzene
CID 114862219
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 114860071
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446096
N-[(4-chloro-2-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 114841421

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol (CID 114280035) is 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol is CC(C)CCC(C)(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol?
The InChIKey is LFDHIDJCENAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFO/c1-10(2)6-7-14(3,17)9-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol?
1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol has a molecular weight of 258.76 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol is sourced from PubChem (CID 114280035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).