1-(2,5-difluorophenyl)pent-4-yn-1-amine

C11H11F2N — CID 63672748

IUPAC1-(2,5-difluorophenyl)pent-4-yn-1-amine
SMILESC#CCCC(N)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h1,5-7,11H,3-4,14H2
InChIKeyQQOXDWHQLCQSGU-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.38
Rot. Bonds3

About 1-(2,5-difluorophenyl)pent-4-yn-1-amine

1-(2,5-difluorophenyl)pent-4-yn-1-amine (PubChem CID 63672748) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)pent-4-yn-1-amine
PubChem CID63672748
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name1-(2,5-difluorophenyl)pent-4-yn-1-amine
SMILESC#CCCC(N)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h1,5-7,11H,3-4,14H2
InChIKeyQQOXDWHQLCQSGU-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)hex-4-yn-1-amine
CID 104805650
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
CID 116934749
1-(2,3,4-trifluorophenyl)hex-5-yn-1-amine
CID 105033744
1-(5-chloro-2-methylphenyl)pent-4-yn-1-amine
CID 115859365
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
1-(3,4,5-trifluorophenyl)pent-4-yn-1-amine
CID 63657908
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)pent-4-yn-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)pent-4-yn-1-amine (CID 63672748) is 1-(2,5-difluorophenyl)pent-4-yn-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)pent-4-yn-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)pent-4-yn-1-amine is C#CCCC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)pent-4-yn-1-amine?
The InChIKey is QQOXDWHQLCQSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h1,5-7,11H,3-4,14H2.
What are the key properties of 1-(2,5-difluorophenyl)pent-4-yn-1-amine?
1-(2,5-difluorophenyl)pent-4-yn-1-amine has a molecular weight of 195.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)pent-4-yn-1-amine is sourced from PubChem (CID 63672748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).