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

C15H18F2O2 — CID 114215551

IUPAC(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)C2CCCC(F)(F)C2)cc1
InChIInChI=1S/C15H18F2O2/c1-2-19-13-7-5-11(6-8-13)14(18)12-4-3-9-15(16,17)10-12/h5-8,12H,2-4,9-10H2,1H3
InChIKeyWOIJCVIIQOHWJU-UHFFFAOYSA-N
MW268.30 g/mol
LogP4.09
Rot. Bonds4

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

(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone (PubChem CID 114215551) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
PubChem CID114215551
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)C2CCCC(F)(F)C2)cc1
InChIInChI=1S/C15H18F2O2/c1-2-19-13-7-5-11(6-8-13)14(18)12-4-3-9-15(16,17)10-12/h5-8,12H,2-4,9-10H2,1H3
InChIKeyWOIJCVIIQOHWJU-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-ethoxyphenyl)methanone
CID 171946941
(4-ethoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171946948
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
(4-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171946940
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
CID 81330105
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
ethyl 4-(cyclopentanecarbonyl)benzoate
CID 24724161

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone (CID 114215551) is (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)C2CCCC(F)(F)C2)cc1.
What is the InChIKey of (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone?
The InChIKey is WOIJCVIIQOHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-2-19-13-7-5-11(6-8-13)14(18)12-4-3-9-15(16,17)10-12/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone?
(3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone has a molecular weight of 268.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 114215551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).