(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone

C16H18F2O — CID 106893040

IUPAC(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(C1CCC(F)(F)CC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H18F2O/c17-16(18)7-5-11(6-8-16)15(19)14-9-12-3-1-2-4-13(12)10-14/h1-4,11,14H,5-10H2
InChIKeyWRVDLSOHUWRLDZ-UHFFFAOYSA-N
MW264.31 g/mol
LogP3.80
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone

(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106893040) has the molecular formula C16H18F2O and a molecular weight of 264.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106893040
Molecular FormulaC16H18F2O
Molecular Weight264.31 g/mol
Exact Mass264.13
IUPAC Name(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(C1CCC(F)(F)CC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H18F2O/c17-16(18)7-5-11(6-8-16)15(19)14-9-12-3-1-2-4-13(12)10-14/h1-4,11,14H,5-10H2
InChIKeyWRVDLSOHUWRLDZ-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
CID 174033948
CID 174033948
(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408200
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105086176
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
cyclohexyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549688
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106893040) is (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone is O=C(C1CCC(F)(F)CC1)C1Cc2ccccc2C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is WRVDLSOHUWRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O/c17-16(18)7-5-11(6-8-16)15(19)14-9-12-3-1-2-4-13(12)10-14/h1-4,11,14H,5-10H2.
What are the key properties of (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 264.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106893040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).