1-(3-chloro-2-fluorophenyl)decan-2-ol

C16H24ClFO — CID 82803410

IUPAC1-(3-chloro-2-fluorophenyl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFO/c1-2-3-4-5-6-7-10-14(19)12-13-9-8-11-15(17)16(13)18/h8-9,11,14,19H,2-7,10,12H2,1H3
InChIKeyCBKGQSJENCDWDT-UHFFFAOYSA-N
MW286.82 g/mol
LogP5.13
Rot. Bonds9

About 1-(3-chloro-2-fluorophenyl)decan-2-ol

1-(3-chloro-2-fluorophenyl)decan-2-ol (PubChem CID 82803410) has the molecular formula C16H24ClFO and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)decan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)decan-2-ol
PubChem CID82803410
Molecular FormulaC16H24ClFO
Molecular Weight286.82 g/mol
Exact Mass286.15
IUPAC Name1-(3-chloro-2-fluorophenyl)decan-2-ol
SMILESCCCCCCCCC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFO/c1-2-3-4-5-6-7-10-14(19)12-13-9-8-11-15(17)16(13)18/h8-9,11,14,19H,2-7,10,12H2,1H3
InChIKeyCBKGQSJENCDWDT-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.82
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol
CID 82805654
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-4-methylheptan-2-ol
CID 82801942

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)decan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)decan-2-ol (CID 82803410) is 1-(3-chloro-2-fluorophenyl)decan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)decan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)decan-2-ol is CCCCCCCCC(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)decan-2-ol?
The InChIKey is CBKGQSJENCDWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFO/c1-2-3-4-5-6-7-10-14(19)12-13-9-8-11-15(17)16(13)18/h8-9,11,14,19H,2-7,10,12H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)decan-2-ol?
1-(3-chloro-2-fluorophenyl)decan-2-ol has a molecular weight of 286.82 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)decan-2-ol is sourced from PubChem (CID 82803410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).