N-propyl-4-(trifluoromethyl)oxan-4-amine

C9H16F3NO — CID 66206209

IUPACN-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO/c1-2-5-13-8(9(10,11)12)3-6-14-7-4-8/h13H,2-7H2,1H3
InChIKeyVCTLUHLRCFOAHA-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds3

About N-propyl-4-(trifluoromethyl)oxan-4-amine

N-propyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66206209) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-propyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-propyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66206209
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO/c1-2-5-13-8(9(10,11)12)3-6-14-7-4-8/h13H,2-7H2,1H3
InChIKeyVCTLUHLRCFOAHA-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,2,2-Trifluoroethylamino)oxan-4-yl]ethanol
CID 84590200
N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 63225984
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
N-ethyl-4-(trifluoromethyl)oxan-4-amine
CID 66204557
N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 66207189
3-fluoro-N-propan-2-yloxan-4-amine
CID 124162760
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
CID 134166296
N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
CID 146534819
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-propyl-4-(trifluoromethyl)oxan-4-amine (CID 66206209) is N-propyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-propyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-propyl-4-(trifluoromethyl)oxan-4-amine is CCCNC1(C(F)(F)F)CCOCC1.
What is the InChIKey of N-propyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is VCTLUHLRCFOAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-5-13-8(9(10,11)12)3-6-14-7-4-8/h13H,2-7H2,1H3.
What are the key properties of N-propyl-4-(trifluoromethyl)oxan-4-amine?
N-propyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66206209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).