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

C7H12F3NO — CID 66207189

IUPACN-methyl-4-(trifluoromethyl)oxan-4-amine
SMILESCNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C7H12F3NO/c1-11-6(7(8,9)10)2-4-12-5-3-6/h11H,2-5H2,1H3
InChIKeyPNPLTDYDORQWCV-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds1

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

N-methyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66207189) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66207189
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-methyl-4-(trifluoromethyl)oxan-4-amine
SMILESCNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C7H12F3NO/c1-11-6(7(8,9)10)2-4-12-5-3-6/h11H,2-5H2,1H3
InChIKeyPNPLTDYDORQWCV-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyloxan-4-amine hydrochloride
CID 145867425
N,4-dimethyloxan-4-amine
CID 58327987
N-ethyl-4-(trifluoromethyl)oxan-4-amine
CID 66204557
4-fluoro-N-methyloxan-4-amine
CID 143105494
N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
CID 146534819
2,2-difluoro-N-methyloxan-4-amine
CID 169875121
N,2-dimethyl-4-(trifluoromethyl)oxan-4-amine
CID 66205554
1,1,1-trifluoro-4-methoxy-N,2-dimethylbutan-2-amine
CID 66205768
N-propyl-4-(trifluoromethyl)oxan-4-amine
CID 66206209
4-(difluoromethyl)-N,2-dimethyloxan-4-amine
CID 80604324
4-(difluoromethyl)-N-propyloxan-4-amine
CID 80604823
4-(difluoromethyl)-N-methyloxan-4-amine
CID 80605267

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)oxan-4-amine (CID 66207189) is N-methyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)oxan-4-amine is CNC1(C(F)(F)F)CCOCC1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is PNPLTDYDORQWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-6(7(8,9)10)2-4-12-5-3-6/h11H,2-5H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)oxan-4-amine?
N-methyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66207189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).