2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine

C10H18F3NO — CID 62382185

IUPAC2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(OCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(6-14)15-7-8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyQEZPRGSZIJWYAB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds4

About 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine

2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 62382185) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID62382185
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(OCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(6-14)15-7-8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyQEZPRGSZIJWYAB-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Methylcyclohexyl)oxy]ethan-1-amine
CID 20114360
2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
1-(Cyclohexylmethoxy)-3-(4,4-difluorocyclohexyl)oxypropan-2-amine
CID 164604618
(2R,3R)-3-(cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
CID 164604710
(2R,3R)-3-[(4,4-difluorocyclohexyl)methoxy]-1-(oxan-4-yloxy)butan-2-amine
CID 164604989
3-[(4,4-Difluorocyclohexyl)methoxy]azetidine
CID 169104391
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
(2R,3R)-3-(cyclohexylmethoxy)-1-(4,4-difluorocyclohexyl)oxybutan-2-amine
CID 171593803
3-(Cyclohexylmethoxy)-1-(trifluoromethoxy)butan-2-amine
CID 175494949
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
2-Cyclohexyloxy-3,3,3-trifluoropropan-1-amine
CID 43752844

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine (CID 62382185) is 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine is NCC(OCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is QEZPRGSZIJWYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(6-14)15-7-8-4-2-1-3-5-8/h8-9H,1-7,14H2.
What are the key properties of 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine?
2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 62382185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).