1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine

C20H21F3N2 — CID 129216220

IUPAC1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N)(C2CC2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)15-3-1-2-14(8-15)12-4-6-13(7-5-12)17-9-18(17)19(25)10-16(24)11-19/h1-8,16-18H,9-11,24-25H2
InChIKeyBZDFKGKXSZKNGM-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.29
Rot. Bonds3

About 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine

1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine (PubChem CID 129216220) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
PubChem CID129216220
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N)(C2CC2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)15-3-1-2-14(8-15)12-4-6-13(7-5-12)17-9-18(17)19(25)10-16(24)11-19/h1-8,16-18H,9-11,24-25H2
InChIKeyBZDFKGKXSZKNGM-UHFFFAOYSA-N
XLogP4.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine (CID 129216220) is 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine is NC1CC(N)(C2CC2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1.
What is the InChIKey of 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
The InChIKey is BZDFKGKXSZKNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2/c21-20(22,23)15-3-1-2-14(8-15)12-4-6-13(7-5-12)17-9-18(17)19(25)10-16(24)11-19/h1-8,16-18H,9-11,24-25H2.
What are the key properties of 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine?
1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine has a molecular weight of 346.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 129216220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).