1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one

C18H30F2O — CID 58477014

IUPAC1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one
SMILESCC1(C)CC[C@H](CCC(=O)C2CCC(F)(F)CC2)C1(C)C
InChIInChI=1S/C18H30F2O/c1-16(2)10-9-14(17(16,3)4)5-6-15(21)13-7-11-18(19,20)12-8-13/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyRFWNWAGNIHXBJM-AWEZNQCLSA-N
MW300.43 g/mol
LogP5.62
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one

1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one (PubChem CID 58477014) has the molecular formula C18H30F2O and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one
PubChem CID58477014
Molecular FormulaC18H30F2O
Molecular Weight300.43 g/mol
Exact Mass300.23
IUPAC Name1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one
SMILESCC1(C)CC[C@H](CCC(=O)C2CCC(F)(F)CC2)C1(C)C
InChIInChI=1S/C18H30F2O/c1-16(2)10-9-14(17(16,3)4)5-6-15(21)13-7-11-18(19,20)12-8-13/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyRFWNWAGNIHXBJM-AWEZNQCLSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-4,4-dimethylpentan-1-one
CID 105093364
N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 77292727
1-(4,4-difluorocyclohexyl)hex-4-yn-1-one
CID 105129038
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one
CID 105123310
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
1-(4,4-difluorocyclohexyl)-4-methylsulfonylbutan-1-one
CID 105084255
3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
CID 57072074
1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 115515912
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468
1-(4,4-difluorocyclohexyl)-3-methylhexan-1-one
CID 105091355

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one (CID 58477014) is 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one is CC1(C)CC[C@H](CCC(=O)C2CCC(F)(F)CC2)C1(C)C.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one?
The InChIKey is RFWNWAGNIHXBJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30F2O/c1-16(2)10-9-14(17(16,3)4)5-6-15(21)13-7-11-18(19,20)12-8-13/h13-14H,5-12H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one?
1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one has a molecular weight of 300.43 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one is sourced from PubChem (CID 58477014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).