1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine

C11H11F6N — CID 18543623

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6N/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9H,2,18H2,1H3
InChIKeyJDBPNFXZESJTAH-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.13
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine

1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 18543623) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
PubChem CID18543623
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
SMILESCCC(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6N/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9H,2,18H2,1H3
InChIKeyJDBPNFXZESJTAH-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-2-ethylsulfanylethanamine
CID 64615079
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 171218098
(1S)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethanamine
CID 143923962
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171218097
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171198600
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171218118
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine
CID 171198597
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]propyl]hydrazine
CID 124633832
methyl (3R)-3-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171245726
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
1-[3,5-bis(trifluoromethyl)phenyl]butan-2-amine
CID 79020904

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine (CID 18543623) is 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine is CCC(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is JDBPNFXZESJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9H,2,18H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine?
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 18543623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).