N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine

C10H14F3N — CID 139541211

IUPACN,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine
SMILESCC1=CC(C(F)(F)F)=CC1CN(C)C
InChIInChI=1S/C10H14F3N/c1-7-4-9(10(11,12)13)5-8(7)6-14(2)3/h4-5,8H,6H2,1-3H3
InChIKeyBTPWCSJWQHAHKP-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.61
Rot. Bonds2

About N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine

N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine (PubChem CID 139541211) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine
PubChem CID139541211
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine
SMILESCC1=CC(C(F)(F)F)=CC1CN(C)C
InChIInChI=1S/C10H14F3N/c1-7-4-9(10(11,12)13)5-8(7)6-14(2)3/h4-5,8H,6H2,1-3H3
InChIKeyBTPWCSJWQHAHKP-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine (CID 139541211) is N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine is CC1=CC(C(F)(F)F)=CC1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine?
The InChIKey is BTPWCSJWQHAHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-7-4-9(10(11,12)13)5-8(7)6-14(2)3/h4-5,8H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine?
N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine has a molecular weight of 205.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-4-(trifluoromethyl)cyclopenta-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 139541211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).