(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine

C10H13F3N2 — CID 171204878

IUPAC(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H13F3N2/c11-6-4-7(12)10(8(13)5-6)9(15)2-1-3-14/h4-5,9H,1-3,14-15H2/t9-/m1/s1
InChIKeyLVLMWSKVXBOLQN-SECBINFHSA-N
MW218.22 g/mol
LogP1.84
Rot. Bonds4

About (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine

(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine (PubChem CID 171204878) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
PubChem CID171204878
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H13F3N2/c11-6-4-7(12)10(8(13)5-6)9(15)2-1-3-14/h4-5,9H,1-3,14-15H2/t9-/m1/s1
InChIKeyLVLMWSKVXBOLQN-SECBINFHSA-N
XLogP1.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid
CID 28931216
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine (CID 171204878) is (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine is NCCC[C@@H](N)c1c(F)cc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine?
The InChIKey is LVLMWSKVXBOLQN-SECBINFHSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-6-4-7(12)10(8(13)5-6)9(15)2-1-3-14/h4-5,9H,1-3,14-15H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine?
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 171204878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).