ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

C12H16F3N — CID 145295879

IUPACethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCC.NC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C10H10F3N.C2H6/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-9;1-2/h1-4H,5-6,14H2;1-2H3
InChIKeyDNKVWFPIMIESJE-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.68
Rot. Bonds1

About ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 145295879) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Nameethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID145295879
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Nameethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCC.NC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C10H10F3N.C2H6/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-9;1-2/h1-4H,5-6,14H2;1-2H3
InChIKeyDNKVWFPIMIESJE-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 145295879) is ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine is CC.NC1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is DNKVWFPIMIESJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N.C2H6/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-9;1-2/h1-4H,5-6,14H2;1-2H3.
What are the key properties of ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 145295879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).