N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine

C9H15F2N — CID 106209686

IUPACN-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
SMILESC#CCCCCNC(C)C(F)F
InChIInChI=1S/C9H15F2N/c1-3-4-5-6-7-12-8(2)9(10)11/h1,8-9,12H,4-7H2,2H3
InChIKeyAJHNKPMCSNCDKE-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.03
Rot. Bonds6

About N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine

N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine (PubChem CID 106209686) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
PubChem CID106209686
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC NameN-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
SMILESC#CCCCCNC(C)C(F)F
InChIInChI=1S/C9H15F2N/c1-3-4-5-6-7-12-8(2)9(10)11/h1,8-9,12H,4-7H2,2H3
InChIKeyAJHNKPMCSNCDKE-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.03
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

N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
N-but-3-en-2-ylhex-5-yn-1-amine
CID 106211402
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
CID 102870139
N-(1-tert-butylsulfanylpropan-2-yl)hex-5-yn-1-amine
CID 115893719
N-hex-5-ynylheptan-3-amine
CID 103903630
N-methylhept-6-yn-1-amine
CID 64502555
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
N-pent-4-ynylpentan-2-amine
CID 115724855

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine (CID 106209686) is N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine is C#CCCCCNC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine?
The InChIKey is AJHNKPMCSNCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-4-5-6-7-12-8(2)9(10)11/h1,8-9,12H,4-7H2,2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine?
N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.03, 6 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)hex-5-yn-1-amine is sourced from PubChem (CID 106209686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).