N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C12H22F3NO — CID 43748977

IUPACN-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-9(2)16-10-5-4-6-11(7-10)17-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyHYSRVGHNOAWNDG-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds5

About N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748977) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748977
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-9(2)16-10-5-4-6-11(7-10)17-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyHYSRVGHNOAWNDG-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-methylcyclohexan-1-amine
CID 14480118
3-(2,2,2-Trifluoroethoxy)cyclohexan-1-amine
CID 16228803
[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
[3-(Methylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 68317400
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
2-fluoro-N-methyl-5-(oxolan-3-yloxy)cyclohexan-1-amine
CID 124029842
1,1,1-Trifluoro-2-[[3-(trifluoromethoxy)cyclohexyl]amino]propan-2-ol
CID 149820458
N-propan-2-yl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 169842777
3-[(4,4-Difluorocyclohexyl)amino]cyclohexan-1-ol
CID 170209590
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-[(2S)-butan-2-yl]-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 173769374

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748977) is N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCC(C)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is HYSRVGHNOAWNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-9(2)16-10-5-4-6-11(7-10)17-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).