3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine

C10H17F2N — CID 176924039

IUPAC3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine
SMILESC=C(C)N(C(C)C)C1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-7(2)13(8(3)4)9-5-10(11,12)6-9/h8-9H,1,5-6H2,2-4H3
InChIKeyNLTWSLNLDMEODH-UHFFFAOYSA-N
MW189.25 g/mol
LogP3.03
Rot. Bonds3

About 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine

3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine (PubChem CID 176924039) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine
PubChem CID176924039
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine
SMILESC=C(C)N(C(C)C)C1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-7(2)13(8(3)4)9-5-10(11,12)6-9/h8-9H,1,5-6H2,2-4H3
InChIKeyNLTWSLNLDMEODH-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethene, 1-(diisopropylamino)-1-(trifluoromethyl)-
CID 586561
Ethene, 1-(N-butyl-N-methylamino)-1-(trifluoromethyl)-
CID 586686
1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine
CID 155699877
3,3-Difluoro-1-prop-1-en-2-ylazetidine;ethane
CID 157033561
N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine
CID 163422333
N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 166105305
N-buta-1,3-dien-2-yl-3,3-difluoro-N-methylcyclobutan-1-amine
CID 166779739
N-[(E)-but-2-en-2-yl]-4,4-difluoro-N-propylbutan-1-amine
CID 173899210
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane
CID 177326353
(3,3-Difluorocyclobutyl)-dimethyl-prop-2-enylazanium
CID 178136988
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 177326354

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine (CID 176924039) is 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine is C=C(C)N(C(C)C)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine?
The InChIKey is NLTWSLNLDMEODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)13(8(3)4)9-5-10(11,12)6-9/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine?
3,3-difluoro-N-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 3.03, 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-propan-2-yl-N-prop-1-en-2-ylcyclobutan-1-amine is sourced from PubChem (CID 176924039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).