(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine

C10H14F2N2 — CID 171204237

IUPAC(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2/c11-7-3-4-9(12)8(6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m1/s1
InChIKeyMNSHCYCXEHHXRN-SNVBAGLBSA-N
MW200.23 g/mol
LogP1.70
Rot. Bonds4

About (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine

(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine (PubChem CID 171204237) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
PubChem CID171204237
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2/c11-7-3-4-9(12)8(6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m1/s1
InChIKeyMNSHCYCXEHHXRN-SNVBAGLBSA-N
XLogP1.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
1-(2,5-difluorophenyl)pent-4-yn-1-amine
CID 63672748
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine (CID 171204237) is (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine is NCCC[C@@H](N)c1cc(F)ccc1F.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine?
The InChIKey is MNSHCYCXEHHXRN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-7-3-4-9(12)8(6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m1/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine?
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 171204237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).