N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine

C12H13F4NO — CID 103873048

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H13F4NO/c1-7-10(4-5-18-7)17-11-3-2-8(6-9(11)13)12(14,15)16/h2-3,6-7,10,17H,4-5H2,1H3
InChIKeyULUNTZBVLQHYCS-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.43
Rot. Bonds2

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine

N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine (PubChem CID 103873048) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
PubChem CID103873048
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H13F4NO/c1-7-10(4-5-18-7)17-11-3-2-8(6-9(11)13)12(14,15)16/h2-3,6-7,10,17H,4-5H2,1H3
InChIKeyULUNTZBVLQHYCS-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
CID 107303866
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82725530
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303636
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727285
5-fluoro-2-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82717620
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine (CID 103873048) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine is CC1OCCC1Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine?
The InChIKey is ULUNTZBVLQHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-7-10(4-5-18-7)17-11-3-2-8(6-9(11)13)12(14,15)16/h2-3,6-7,10,17H,4-5H2,1H3.
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine has a molecular weight of 263.23 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 103873048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).