1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one

C10H16F3NO — CID 121371206

IUPAC1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
SMILESCC(=O)C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(15)9(14)7-4-2-3-5-8(7)10(11,12)13/h7-9H,2-5,14H2,1H3
InChIKeyHDSOHFGMSLAHNN-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.27
Rot. Bonds2

About 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one

1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one (PubChem CID 121371206) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
PubChem CID121371206
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
SMILESCC(=O)C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(15)9(14)7-4-2-3-5-8(7)10(11,12)13/h7-9H,2-5,14H2,1H3
InChIKeyHDSOHFGMSLAHNN-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(4,4-difluorocyclohexyl)ethan-1-one hydrochloride
CID 121553690
3-Amino-4,4-difluoro-2-methyltridecan-5-one
CID 11615909
2-Amino-1-cyclohexyl-4,4-difluoro-6-methyl-5-sulfanylheptan-3-one
CID 19351555
2-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 21660229
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
2-Amino-1-cyclohexyl-4,4-difluoro-6-methyl-1-sulfanylheptan-3-one
CID 56973811
(4S)-4-amino-1-azido-5-cyclohexyl-2,2-difluoropentan-3-one
CID 56988466
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methyl-1-sulfanylheptan-3-one
CID 57500982
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115482
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methyl-5-sulfanylheptan-3-one
CID 88080411
6-Amino-1,1,1-trifluoro-3-methylnonan-2-one
CID 88586887

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one?
The IUPAC name of 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one (CID 121371206) is 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one?
The canonical SMILES for 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one is CC(=O)C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one?
The InChIKey is HDSOHFGMSLAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-6(15)9(14)7-4-2-3-5-8(7)10(11,12)13/h7-9H,2-5,14H2,1H3.
What are the key properties of 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one?
1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one is sourced from PubChem (CID 121371206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).