[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C10H18F3NO — CID 62111087

IUPAC[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-8-2-4-9(6-14,5-3-8)15-7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyWRMWUPARYNCACR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds3

About [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62111087) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62111087
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-8-2-4-9(6-14,5-3-8)15-7-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyWRMWUPARYNCACR-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methoxy-4-methylcyclohexyl)methanamine
CID 15495983
2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
[4-(Difluoromethyl)-1-methoxycyclohexyl]methanamine
CID 122164072
C-(4,4-Difluoro-1-methoxy-cyclohexyl)-methylamine hydrochloride
CID 121393453
(4,4-Difluoro-1-methoxycyclohexyl)methanamine
CID 121393454
2-Propoxy-5-(trifluoromethyl)cyclohexanamine
CID 16228799
(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820430
(1S,2S,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820432
(1S,2R,5S)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820434
(1S,2S,5S)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820436
3,3,3-Trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 43752921
4,4,4-Trifluoro-3-(4-methylcyclohexyl)oxybutan-1-amine
CID 43753305

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62111087) is [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CC1CCC(CN)(OCC(F)(F)F)CC1.
What is the InChIKey of [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is WRMWUPARYNCACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8-2-4-9(6-14,5-3-8)15-7-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62111087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).