3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine

C9H19F2N — CID 164750438

IUPAC3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
SMILESCN(C)CCC(F)(F)C(C)(C)C
InChIInChI=1S/C9H19F2N/c1-8(2,3)9(10,11)6-7-12(4)5/h6-7H2,1-5H3
InChIKeyPPGUHPDRRCRZEE-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.62
Rot. Bonds3

About 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine

3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine (PubChem CID 164750438) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
PubChem CID164750438
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
SMILESCN(C)CCC(F)(F)C(C)(C)C
InChIInChI=1S/C9H19F2N/c1-8(2,3)9(10,11)6-7-12(4)5/h6-7H2,1-5H3
InChIKeyPPGUHPDRRCRZEE-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N,N-dimethyldecan-1-amine
CID 10051282
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
4,4-difluoro-N,N,3,3-tetramethylbutan-1-amine
CID 170950191
3,3-difluoro-4,4-dimethylpentan-1-ol
CID 105429698
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
6-N,6-N-dichloro-3,3-difluoro-1-N,1-N,6-trimethylheptane-1,6-diamine
CID 162564095
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 172563999
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
CID 163258441
1-N,1-N,3,4-tetramethylpentane-1,3-diamine
CID 57171035

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine?
The IUPAC name of 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine (CID 164750438) is 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine is CN(C)CCC(F)(F)C(C)(C)C.
What is the InChIKey of 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine?
The InChIKey is PPGUHPDRRCRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-8(2,3)9(10,11)6-7-12(4)5/h6-7H2,1-5H3.
What are the key properties of 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine?
3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 164750438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).