2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine

C14H17F4N — CID 107290007

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine
SMILESNC1CCCCCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c15-12-7-6-9(8-11(12)14(16,17)18)10-4-2-1-3-5-13(10)19/h6-8,10,13H,1-5,19H2
InChIKeyNINSSBYZMVEOJN-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.22
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine

2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine (PubChem CID 107290007) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine
PubChem CID107290007
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine
SMILESNC1CCCCCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4N/c15-12-7-6-9(8-11(12)14(16,17)18)10-4-2-1-3-5-13(10)19/h6-8,10,13H,1-5,19H2
InChIKeyNINSSBYZMVEOJN-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine (CID 107290007) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine is NC1CCCCCC1c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine?
The InChIKey is NINSSBYZMVEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-12-7-6-9(8-11(12)14(16,17)18)10-4-2-1-3-5-13(10)19/h6-8,10,13H,1-5,19H2.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine?
2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine has a molecular weight of 275.29 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine is sourced from PubChem (CID 107290007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).