N-heptan-3-yl-4-(trifluoromethyl)aniline

C14H20F3N — CID 63947289

IUPACN-heptan-3-yl-4-(trifluoromethyl)aniline
SMILESCCCCC(CC)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-3-5-6-12(4-2)18-13-9-7-11(8-10-13)14(15,16)17/h7-10,12,18H,3-6H2,1-2H3
InChIKeyOGUXRFOXSAGYDG-UHFFFAOYSA-N
MW259.31 g/mol
LogP5.09
Rot. Bonds6

About N-heptan-3-yl-4-(trifluoromethyl)aniline

N-heptan-3-yl-4-(trifluoromethyl)aniline (PubChem CID 63947289) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-heptan-3-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-heptan-3-yl-4-(trifluoromethyl)aniline
PubChem CID63947289
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-heptan-3-yl-4-(trifluoromethyl)aniline
SMILESCCCCC(CC)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-3-5-6-12(4-2)18-13-9-7-11(8-10-13)14(15,16)17/h7-10,12,18H,3-6H2,1-2H3
InChIKeyOGUXRFOXSAGYDG-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.31
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-3-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 63944718
N-heptan-3-yl-4-(trifluoromethylsulfanyl)aniline
CID 63944729
N-(1-chlorobutan-2-yl)-4-(trifluoromethyl)aniline
CID 65030358
N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
CID 63944741
4-fluoro-N-octan-3-ylaniline
CID 150524995
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-[4-(heptan-3-ylamino)phenyl]ethanesulfonamide
CID 63945935
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
3-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944501
2-[4-(heptan-3-ylamino)phenyl]acetonitrile
CID 63944926
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pentanimidamide
CID 77025322
N-decyl-4-(trifluoromethyl)aniline
CID 63488784

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-4-(trifluoromethyl)aniline?
The IUPAC name of N-heptan-3-yl-4-(trifluoromethyl)aniline (CID 63947289) is N-heptan-3-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-heptan-3-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-heptan-3-yl-4-(trifluoromethyl)aniline is CCCCC(CC)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-heptan-3-yl-4-(trifluoromethyl)aniline?
The InChIKey is OGUXRFOXSAGYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-5-6-12(4-2)18-13-9-7-11(8-10-13)14(15,16)17/h7-10,12,18H,3-6H2,1-2H3.
What are the key properties of N-heptan-3-yl-4-(trifluoromethyl)aniline?
N-heptan-3-yl-4-(trifluoromethyl)aniline has a molecular weight of 259.31 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 63947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).