3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine

C14H17F4N — CID 103529593

IUPAC3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C14H17F4N/c1-9-4-2-3-5-12(9)10-6-11(7-10)19-8-14(17,18)13(15)16/h2-5,10-11,13,19H,6-8H2,1H3
InChIKeyBUEFCCKDTQQZPN-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.73
Rot. Bonds5

About 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine

3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine (PubChem CID 103529593) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
PubChem CID103529593
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C14H17F4N/c1-9-4-2-3-5-12(9)10-6-11(7-10)19-8-14(17,18)13(15)16/h2-5,10-11,13,19H,6-8H2,1H3
InChIKeyBUEFCCKDTQQZPN-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097
3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529409
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175794662
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine (CID 103529593) is 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NCC(F)(F)C(F)F)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The InChIKey is BUEFCCKDTQQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-9-4-2-3-5-12(9)10-6-11(7-10)19-8-14(17,18)13(15)16/h2-5,10-11,13,19H,6-8H2,1H3.
What are the key properties of 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine has a molecular weight of 275.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 103529593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).