8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine

C15H17F4N3 — CID 110431796

IUPAC8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCCCCNc1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C15H17F4N3/c1-2-3-4-5-9-20-13-10-7-6-8-11(16)12(10)21-14(22-13)15(17,18)19/h6-8H,2-5,9H2,1H3,(H,20,21,22)
InChIKeyOKHYHEPWYNTCBR-UHFFFAOYSA-N
MW315.31 g/mol
LogP4.78
Rot. Bonds6

About 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine

8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431796) has the molecular formula C15H17F4N3 and a molecular weight of 315.31 g/mol. Its IUPAC name is 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431796
Molecular FormulaC15H17F4N3
Molecular Weight315.31 g/mol
Exact Mass315.14
IUPAC Name8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCCCCNc1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C15H17F4N3/c1-2-3-4-5-9-20-13-10-7-6-8-11(16)12(10)21-14(22-13)15(17,18)19/h6-8H,2-5,9H2,1H3,(H,20,21,22)
InChIKeyOKHYHEPWYNTCBR-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775
N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110431648
8-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
CID 71498129
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 76847016
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
1-octadecyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea
CID 22957715
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 110433572
8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110433571
N-octyl-3-(trifluoromethyl)aniline
CID 43129188

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine (CID 110431796) is 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine is CCCCCCNc1nc(C(F)(F)F)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is OKHYHEPWYNTCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3/c1-2-3-4-5-9-20-13-10-7-6-8-11(16)12(10)21-14(22-13)15(17,18)19/h6-8H,2-5,9H2,1H3,(H,20,21,22).
What are the key properties of 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine?
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 315.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).