N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine

C13H16F3NO — CID 80716875

IUPACN-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9(17-10-6-7-18-8-10)11-4-2-3-5-12(11)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyRDNONGVAGQEGFH-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.14
Rot. Bonds3

About N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine

N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine (PubChem CID 80716875) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine
PubChem CID80716875
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-9(17-10-6-7-18-8-10)11-4-2-3-5-12(11)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyRDNONGVAGQEGFH-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine?
The IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine (CID 80716875) is N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine?
The canonical SMILES for N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine is CC(NC1CCOC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine?
The InChIKey is RDNONGVAGQEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9(17-10-6-7-18-8-10)11-4-2-3-5-12(11)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3.
What are the key properties of N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine?
N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine has a molecular weight of 259.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)phenyl]ethyl]oxolan-3-amine is sourced from PubChem (CID 80716875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).