N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine

C20H22F3NO — CID 89269181

IUPACN-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine
SMILESC=C(Cc1ccc(CCCCc2ccc(C(F)(F)F)cc2)cc1)NO
InChIInChI=1S/C20H22F3NO/c1-15(24-25)14-18-8-6-16(7-9-18)4-2-3-5-17-10-12-19(13-11-17)20(21,22)23/h6-13,24-25H,1-5,14H2
InChIKeyHKRZJNOAUCQBQP-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.31
Rot. Bonds8

About N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine

N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine (PubChem CID 89269181) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine
PubChem CID89269181
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine
SMILESC=C(Cc1ccc(CCCCc2ccc(C(F)(F)F)cc2)cc1)NO
InChIInChI=1S/C20H22F3NO/c1-15(24-25)14-18-8-6-16(7-9-18)4-2-3-5-17-10-12-19(13-11-17)20(21,22)23/h6-13,24-25H,1-5,14H2
InChIKeyHKRZJNOAUCQBQP-UHFFFAOYSA-N
XLogP5.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine (CID 89269181) is N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine is C=C(Cc1ccc(CCCCc2ccc(C(F)(F)F)cc2)cc1)NO.
What is the InChIKey of N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine?
The InChIKey is HKRZJNOAUCQBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c1-15(24-25)14-18-8-6-16(7-9-18)4-2-3-5-17-10-12-19(13-11-17)20(21,22)23/h6-13,24-25H,1-5,14H2.
What are the key properties of N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine?
N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine has a molecular weight of 349.40 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[4-(trifluoromethyl)phenyl]butyl]phenyl]prop-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 89269181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).