(4-phenylcyclohexyl) 2,2-difluoropropanoate

C15H18F2O2 — CID 58372434

IUPAC(4-phenylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H18F2O2/c1-15(16,17)14(18)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyLCRFXGQLMIVUDD-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.91
Rot. Bonds3

About (4-phenylcyclohexyl) 2,2-difluoropropanoate

(4-phenylcyclohexyl) 2,2-difluoropropanoate (PubChem CID 58372434) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (4-phenylcyclohexyl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(4-phenylcyclohexyl) 2,2-difluoropropanoate
PubChem CID58372434
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name(4-phenylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H18F2O2/c1-15(16,17)14(18)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyLCRFXGQLMIVUDD-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylcyclohexyl) carbonochloridate
CID 57313775
[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
CID 70907246
benzene;cyclopropylbenzene
CID 144638417
[4-[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]phenyl]cyclohexyl] (2R)-2-fluoropropanoate
CID 56612652
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
CID 161473720
CID 161473720
carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 90949618
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate
CID 118647046
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexyl) 2,2-difluoropropanoate?
The IUPAC name of (4-phenylcyclohexyl) 2,2-difluoropropanoate (CID 58372434) is (4-phenylcyclohexyl) 2,2-difluoropropanoate.
What is the SMILES notation for (4-phenylcyclohexyl) 2,2-difluoropropanoate?
The canonical SMILES for (4-phenylcyclohexyl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylcyclohexyl) 2,2-difluoropropanoate?
The InChIKey is LCRFXGQLMIVUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-15(16,17)14(18)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of (4-phenylcyclohexyl) 2,2-difluoropropanoate?
(4-phenylcyclohexyl) 2,2-difluoropropanoate has a molecular weight of 268.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexyl) 2,2-difluoropropanoate is sourced from PubChem (CID 58372434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).