N-(1,1-difluoropropan-2-yl)hexan-1-amine

C9H19F2N — CID 102868054

IUPACN-(1,1-difluoropropan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)C(F)F
InChIInChI=1S/C9H19F2N/c1-3-4-5-6-7-12-8(2)9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyJZVCAGXFYSICJP-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.81
Rot. Bonds7

About N-(1,1-difluoropropan-2-yl)hexan-1-amine

N-(1,1-difluoropropan-2-yl)hexan-1-amine (PubChem CID 102868054) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)hexan-1-amine
PubChem CID102868054
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC NameN-(1,1-difluoropropan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)C(F)F
InChIInChI=1S/C9H19F2N/c1-3-4-5-6-7-12-8(2)9(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyJZVCAGXFYSICJP-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N-propan-2-ylicosan-1-amine
CID 87246132
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
CID 106209686
(2S,3R)-2-(dodecylamino)octadecan-3-ol
CID 139552165

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)hexan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)hexan-1-amine (CID 102868054) is N-(1,1-difluoropropan-2-yl)hexan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)hexan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)hexan-1-amine is CCCCCCNC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)hexan-1-amine?
The InChIKey is JZVCAGXFYSICJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-3-4-5-6-7-12-8(2)9(10)11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)hexan-1-amine?
N-(1,1-difluoropropan-2-yl)hexan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.81, 7 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)hexan-1-amine is sourced from PubChem (CID 102868054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).