N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H14F5NO — CID 106210355

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C13H14F5NO/c1-8(19-12(6-7-12)13(16,17)18)9-4-2-3-5-10(9)20-11(14)15/h2-5,8,11,19H,6-7H2,1H3
InChIKeyVKVRETDHJGVPJQ-UHFFFAOYSA-N
MW295.25 g/mol
LogP4.03
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210355) has the molecular formula C13H14F5NO and a molecular weight of 295.25 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210355
Molecular FormulaC13H14F5NO
Molecular Weight295.25 g/mol
Exact Mass295.10
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C13H14F5NO/c1-8(19-12(6-7-12)13(16,17)18)9-4-2-3-5-10(9)20-11(14)15/h2-5,8,11,19H,6-7H2,1H3
InChIKeyVKVRETDHJGVPJQ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679916
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860740
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol
CID 106210611

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210355) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(NC1(C(F)(F)F)CC1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is VKVRETDHJGVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO/c1-8(19-12(6-7-12)13(16,17)18)9-4-2-3-5-10(9)20-11(14)15/h2-5,8,11,19H,6-7H2,1H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 295.25 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).