4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine

C12H21F4N — CID 84737988

IUPAC4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine
SMILESCNC(C)CCC1CCC(F)(C(F)(F)F)CC1
InChIInChI=1S/C12H21F4N/c1-9(17-2)3-4-10-5-7-11(13,8-6-10)12(14,15)16/h9-10,17H,3-8H2,1-2H3
InChIKeyRZYHNFVZHNTERJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.84
Rot. Bonds4

About 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine

4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine (PubChem CID 84737988) has the molecular formula C12H21F4N and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine
PubChem CID84737988
Molecular FormulaC12H21F4N
Molecular Weight255.30 g/mol
Exact Mass255.16
IUPAC Name4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine
SMILESCNC(C)CCC1CCC(F)(C(F)(F)F)CC1
InChIInChI=1S/C12H21F4N/c1-9(17-2)3-4-10-5-7-11(13,8-6-10)12(14,15)16/h9-10,17H,3-8H2,1-2H3
InChIKeyRZYHNFVZHNTERJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84735871
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one
CID 84735782
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine
CID 84737013
6-(2-cyclopropylethoxy)-N-methylhexan-2-amine
CID 106200767
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
CID 145163045
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
3-cyclopropyl-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]propan-1-amine
CID 104994759
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine (CID 84737988) is 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine is CNC(C)CCC1CCC(F)(C(F)(F)F)CC1.
What is the InChIKey of 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine?
The InChIKey is RZYHNFVZHNTERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4N/c1-9(17-2)3-4-10-5-7-11(13,8-6-10)12(14,15)16/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine?
4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine has a molecular weight of 255.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-4-(trifluoromethyl)cyclohexyl]-N-methylbutan-2-amine is sourced from PubChem (CID 84737988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).