3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine

C10H11F4NO — CID 170878567

IUPAC3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-8-4-3-7(2-1-5-15)6-9(8)16-10(12,13)14/h3-4,6H,1-2,5,15H2
InChIKeyBDXDVAJAJLMNBJ-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.62
Rot. Bonds4

About 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine

3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 170878567) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID170878567
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-8-4-3-7(2-1-5-15)6-9(8)16-10(12,13)14/h3-4,6H,1-2,5,15H2
InChIKeyBDXDVAJAJLMNBJ-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloropropyl)-1-fluoro-2-(trifluoromethoxy)benzene
CID 118818887
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 158134110
3-(4-fluoro-3-iodophenyl)propan-1-amine
CID 170867706
1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119025050
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(4-fluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117288827

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine (CID 170878567) is 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine is NCCCc1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is BDXDVAJAJLMNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-8-4-3-7(2-1-5-15)6-9(8)16-10(12,13)14/h3-4,6H,1-2,5,15H2.
What are the key properties of 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine?
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 237.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170878567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).