1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene

C14H18F2 — CID 138569427

IUPAC1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene
SMILESCc1cccc(C2CC(F)(F)CC[C@H]2C)c1
InChIInChI=1S/C14H18F2/c1-10-4-3-5-12(8-10)13-9-14(15,16)7-6-11(13)2/h3-5,8,11,13H,6-7,9H2,1-2H3/t11-,13?/m1/s1
InChIKeyULNVQRMONUQFJH-JTDNENJMSA-N
MW224.29 g/mol
LogP4.53
Rot. Bonds1

About 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene

1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene (PubChem CID 138569427) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene
PubChem CID138569427
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene
SMILESCc1cccc(C2CC(F)(F)CC[C@H]2C)c1
InChIInChI=1S/C14H18F2/c1-10-4-3-5-12(8-10)13-9-14(15,16)7-6-11(13)2/h3-5,8,11,13H,6-7,9H2,1-2H3/t11-,13?/m1/s1
InChIKeyULNVQRMONUQFJH-JTDNENJMSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
4,4-difluoro-2-(3-methylphenyl)pyrrolidine
CID 84720826
4,4-difluoro-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115039890
ethane;methylcyclopropane;1,3-xylene
CID 142338532
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 102579240
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
trans-(1S,2S)-4,4-difluoro-2-phenylcyclohexane-1-carboxylic acid
CID 155163175
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
N-methyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 83694830

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene?
The IUPAC name of 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene (CID 138569427) is 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene.
What is the SMILES notation for 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene?
The canonical SMILES for 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene is Cc1cccc(C2CC(F)(F)CC[C@H]2C)c1.
What is the InChIKey of 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene?
The InChIKey is ULNVQRMONUQFJH-JTDNENJMSA-N. The full InChI is InChI=1S/C14H18F2/c1-10-4-3-5-12(8-10)13-9-14(15,16)7-6-11(13)2/h3-5,8,11,13H,6-7,9H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene?
1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene has a molecular weight of 224.29 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene is sourced from PubChem (CID 138569427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).