N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C10H18F3NO — CID 43435888

IUPACN-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-14-8-4-3-5-9(6-8)15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyLNDFIDIUUGSGSX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds4

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

N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435888) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435888
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-14-8-4-3-5-9(6-8)15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyLNDFIDIUUGSGSX-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
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-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435888) is N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is LNDFIDIUUGSGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-14-8-4-3-5-9(6-8)15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).