[4-(trifluoromethoxy)cyclohexyl]methanamine

C8H14F3NO — CID 137347145

IUPAC[4-(trifluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2
InChIKeyYZSHRPNTMCGVOP-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.04
Rot. Bonds2

About [4-(trifluoromethoxy)cyclohexyl]methanamine

[4-(trifluoromethoxy)cyclohexyl]methanamine (PubChem CID 137347145) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [4-(trifluoromethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethoxy)cyclohexyl]methanamine
PubChem CID137347145
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[4-(trifluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2
InChIKeyYZSHRPNTMCGVOP-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-(trifluoromethoxy)cyclohexyl]methanamine (CID 137347145) is [4-(trifluoromethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-(trifluoromethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-(trifluoromethoxy)cyclohexyl]methanamine is NCC1CCC(OC(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethoxy)cyclohexyl]methanamine?
The InChIKey is YZSHRPNTMCGVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h6-7H,1-5,12H2.
What are the key properties of [4-(trifluoromethoxy)cyclohexyl]methanamine?
[4-(trifluoromethoxy)cyclohexyl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 137347145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).