(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone

C17H23FO — CID 63491613

IUPAC(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
SMILESCC(C)(C)C1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyWNQHNIZRIWZGKX-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.86
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone

(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone (PubChem CID 63491613) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
PubChem CID63491613
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
SMILESCC(C)(C)C1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyWNQHNIZRIWZGKX-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
(4-tert-butylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 65400283
(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 65401097
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
CID 65400880
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
CID 113297061
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285
(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
CID 116557437
(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone (CID 63491613) is (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone is CC(C)(C)C1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone?
The InChIKey is WNQHNIZRIWZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone?
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone has a molecular weight of 262.37 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 63491613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).