1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine

C11H12F5N — CID 175153498

IUPAC1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
SMILESNC(CCc1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F5N/c12-10(13,11(14,15)16)9(17)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,17H2
InChIKeyXMBMHWCJEFUTNH-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.14
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine

1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine (PubChem CID 175153498) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
PubChem CID175153498
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC Name1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
SMILESNC(CCc1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F5N/c12-10(13,11(14,15)16)9(17)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,17H2
InChIKeyXMBMHWCJEFUTNH-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
(2S)-4-phenylbutan-2-amine
CID 6994564
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
1,4-diphenylbutan-2-amine
CID 60820174
1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
CID 114827612
4-methyl-4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794021
5-phenylpentane-1,3-diamine
CID 68702978
2-amino-4-phenylbutan-1-ol
CID 159249603
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
3-(trifluoromethylsulfanyl)butylbenzene
CID 138974426
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine?
The IUPAC name of 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine (CID 175153498) is 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine?
The canonical SMILES for 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine is NC(CCc1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine?
The InChIKey is XMBMHWCJEFUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c12-10(13,11(14,15)16)9(17)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,17H2.
What are the key properties of 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine?
1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine has a molecular weight of 253.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine is sourced from PubChem (CID 175153498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).