(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine

C11H16F2N2 — CID 171224073

IUPAC(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
SMILESNCCCC[C@H](N)c1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2/c12-9-5-8(6-10(13)7-9)11(15)3-1-2-4-14/h5-7,11H,1-4,14-15H2/t11-/m0/s1
InChIKeyDJSIGKWRXANNOY-NSHDSACASA-N
MW214.26 g/mol
LogP2.09
Rot. Bonds5

About (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine

(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine (PubChem CID 171224073) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
PubChem CID171224073
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
SMILESNCCCC[C@H](N)c1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2/c12-9-5-8(6-10(13)7-9)11(15)3-1-2-4-14/h5-7,11H,1-4,14-15H2/t11-/m0/s1
InChIKeyDJSIGKWRXANNOY-NSHDSACASA-N
XLogP2.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204574
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171224083
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
5-[(1S)-1,5-diaminopentyl]benzene-1,3-diol
CID 171219413
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
CID 171199887
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine (CID 171224073) is (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine is NCCCC[C@H](N)c1cc(F)cc(F)c1.
What is the InChIKey of (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine?
The InChIKey is DJSIGKWRXANNOY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16F2N2/c12-9-5-8(6-10(13)7-9)11(15)3-1-2-4-14/h5-7,11H,1-4,14-15H2/t11-/m0/s1.
What are the key properties of (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine?
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine is sourced from PubChem (CID 171224073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).