N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine

C9H14F7N — CID 90760291

IUPACN-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CCNC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F7N/c1-3-6(2)4-5-17-7(10,8(11,12)13)9(14,15)16/h6,17H,3-5H2,1-2H3
InChIKeyYZMKYFJNWBQLPX-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.80
Rot. Bonds5

About N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine

N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine (PubChem CID 90760291) has the molecular formula C9H14F7N and a molecular weight of 269.20 g/mol. Its IUPAC name is N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine
PubChem CID90760291
Molecular FormulaC9H14F7N
Molecular Weight269.20 g/mol
Exact Mass269.10
IUPAC NameN-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CCNC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F7N/c1-3-6(2)4-5-17-7(10,8(11,12)13)9(14,15)16/h6,17H,3-5H2,1-2H3
InChIKeyYZMKYFJNWBQLPX-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine?
The IUPAC name of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine (CID 90760291) is N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine is CCC(C)CCNC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine?
The InChIKey is YZMKYFJNWBQLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F7N/c1-3-6(2)4-5-17-7(10,8(11,12)13)9(14,15)16/h6,17H,3-5H2,1-2H3.
What are the key properties of N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine?
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine has a molecular weight of 269.20 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 90760291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).