N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine

C8H13F2N — CID 102870139

IUPACN-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
SMILESCC#CCCNC(C)C(F)F
InChIInChI=1S/C8H13F2N/c1-3-4-5-6-11-7(2)8(9)10/h7-8,11H,5-6H2,1-2H3
InChIKeyWERDEQUIUISTIO-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine

N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine (PubChem CID 102870139) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
PubChem CID102870139
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC NameN-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
SMILESCC#CCCNC(C)C(F)F
InChIInChI=1S/C8H13F2N/c1-3-4-5-6-11-7(2)8(9)10/h7-8,11H,5-6H2,1-2H3
InChIKeyWERDEQUIUISTIO-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 20600813
N-(trifluoromethyl)pent-3-yn-1-amine
CID 21843613
(Butan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24705093
2,2,3,3,3-pentafluoro-N-propan-2-ylpropan-1-amine
CID 43248575
2,2-difluoro-N-propan-2-ylpropan-1-amine
CID 59897674
(3-Fluoropropyl)-(2,2,2-trifluoro-1-methyl-ethyl)-amine
CID 60089646
N-(2,2-difluoroethyl)butan-2-amine
CID 60921230
N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392769
3,3-difluoro-N-propan-2-ylpropan-1-amine
CID 62550432
4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 64565954
N-ethyl-1,1,1-trifluorobutan-2-amine
CID 66205363
1,1,1-trifluoro-N-propylpropan-2-amine
CID 66206401

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine (CID 102870139) is N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine is CC#CCCNC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine?
The InChIKey is WERDEQUIUISTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-4-5-6-11-7(2)8(9)10/h7-8,11H,5-6H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine?
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine has a molecular weight of 161.19 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine is sourced from PubChem (CID 102870139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).