(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone

C13H14ClFO2 — CID 103449806

IUPAC(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)C1(O)CCCCC1
InChIInChI=1S/C13H14ClFO2/c14-11-5-4-9(15)8-10(11)12(16)13(17)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7H2
InChIKeyGMTJRFIDNQEIDR-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.36
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone

(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone (PubChem CID 103449806) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone
PubChem CID103449806
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)C1(O)CCCCC1
InChIInChI=1S/C13H14ClFO2/c14-11-5-4-9(15)8-10(11)12(16)13(17)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7H2
InChIKeyGMTJRFIDNQEIDR-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447915
(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447921
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-adamantyl-(2-chloro-5-fluorophenyl)methanone
CID 105394220
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone (CID 103449806) is (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone is O=C(c1cc(F)ccc1Cl)C1(O)CCCCC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone?
The InChIKey is GMTJRFIDNQEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c14-11-5-4-9(15)8-10(11)12(16)13(17)6-2-1-3-7-13/h4-5,8,17H,1-3,6-7H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone?
(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone has a molecular weight of 256.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone is sourced from PubChem (CID 103449806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).