N-fluoro-N,4,4-trimethylpentan-2-amine

C8H18FN — CID 167199983

IUPACN-fluoro-N,4,4-trimethylpentan-2-amine
SMILESCC(CC(C)(C)C)N(C)F
InChIInChI=1S/C8H18FN/c1-7(10(5)9)6-8(2,3)4/h7H,6H2,1-5H3
InChIKeyCJQPEHKNPOXDTD-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.63
Rot. Bonds2

About N-fluoro-N,4,4-trimethylpentan-2-amine

N-fluoro-N,4,4-trimethylpentan-2-amine (PubChem CID 167199983) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-fluoro-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-fluoro-N,4,4-trimethylpentan-2-amine
PubChem CID167199983
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-fluoro-N,4,4-trimethylpentan-2-amine
SMILESCC(CC(C)(C)C)N(C)F
InChIInChI=1S/C8H18FN/c1-7(10(5)9)6-8(2,3)4/h7H,6H2,1-5H3
InChIKeyCJQPEHKNPOXDTD-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,2,2,4,4-hexamethylpentan-3-amine
CID 12818199
N-fluoro-N,5-dimethylhexan-3-amine
CID 134567034
(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine
CID 166870103
N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine
CID 167147715
N,N,4,4-tetramethylpentan-2-amine
CID 22954163
N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine
CID 89328443
(2S)-N,N,4,4-tetramethylpentan-2-amine
CID 118531531
(2R)-N-ethyl-N,4,4-trimethylpentan-2-amine
CID 122415254
N-ethyl-N,4,4-trimethylpentan-2-amine
CID 123356436
N,N,2,2-tetramethylhexan-3-amine
CID 123883337
N,N,2,2-tetramethylpentan-3-amine
CID 129093692
N,N,2,2,5,5-hexamethylhexan-3-amine
CID 134344058

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N,4,4-trimethylpentan-2-amine?
The IUPAC name of N-fluoro-N,4,4-trimethylpentan-2-amine (CID 167199983) is N-fluoro-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-fluoro-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-fluoro-N,4,4-trimethylpentan-2-amine is CC(CC(C)(C)C)N(C)F.
What is the InChIKey of N-fluoro-N,4,4-trimethylpentan-2-amine?
The InChIKey is CJQPEHKNPOXDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(10(5)9)6-8(2,3)4/h7H,6H2,1-5H3.
What are the key properties of N-fluoro-N,4,4-trimethylpentan-2-amine?
N-fluoro-N,4,4-trimethylpentan-2-amine has a molecular weight of 147.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 167199983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).