(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone

C13H13ClF2O — CID 105082691

IUPAC(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H13ClF2O/c14-11-3-1-2-10(8-11)12(17)9-4-6-13(15,16)7-5-9/h1-3,8-9H,4-7H2
InChIKeyYISQFXGNUFBATE-UHFFFAOYSA-N
MW258.69 g/mol
LogP4.35
Rot. Bonds2

About (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone

(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone (PubChem CID 105082691) has the molecular formula C13H13ClF2O and a molecular weight of 258.69 g/mol. Its IUPAC name is (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
PubChem CID105082691
Molecular FormulaC13H13ClF2O
Molecular Weight258.69 g/mol
Exact Mass258.06
IUPAC Name(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H13ClF2O/c14-11-3-1-2-10(8-11)12(17)9-4-6-13(15,16)7-5-9/h1-3,8-9H,4-7H2
InChIKeyYISQFXGNUFBATE-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
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(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
4-[4-(3-chlorobenzoyl)piperidin-1-yl]-4-oxobutanoate
CID 6985915
2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
CID 6983797
3-(cyclobutanecarbonyl)benzoyl chloride
CID 123709690
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
CID 70315573
CID 70315573

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone (CID 105082691) is (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone is O=C(c1cccc(Cl)c1)C1CCC(F)(F)CC1.
What is the InChIKey of (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone?
The InChIKey is YISQFXGNUFBATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2O/c14-11-3-1-2-10(8-11)12(17)9-4-6-13(15,16)7-5-9/h1-3,8-9H,4-7H2.
What are the key properties of (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone?
(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone has a molecular weight of 258.69 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 105082691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).