(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine

C12H14F3NO — CID 103301746

IUPAC(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine
SMILESCC1(C(N)c2cc(F)c(F)cc2F)CCCO1
InChIInChI=1S/C12H14F3NO/c1-12(3-2-4-17-12)11(16)7-5-9(14)10(15)6-8(7)13/h5-6,11H,2-4,16H2,1H3
InChIKeyDYYGBIHENHJHGZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds2

About (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine

(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301746) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301746
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine
SMILESCC1(C(N)c2cc(F)c(F)cc2F)CCCO1
InChIInChI=1S/C12H14F3NO/c1-12(3-2-4-17-12)11(16)7-5-9(14)10(15)6-8(7)13/h5-6,11H,2-4,16H2,1H3
InChIKeyDYYGBIHENHJHGZ-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(2-methyloxan-2-yl)methanamine
CID 80684717
(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine
CID 80685344
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105250675
(2,6-dimethoxyphenyl)-(2-methyloxolan-2-yl)methanamine
CID 116810627
1-[chloro-(1-methylcyclopentyl)methyl]-2,4,5-trifluorobenzene
CID 103303842
[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105397915
2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80684873
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 80685342
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107129013
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105399198

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine (CID 103301746) is (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine is CC1(C(N)c2cc(F)c(F)cc2F)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is DYYGBIHENHJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-12(3-2-4-17-12)11(16)7-5-9(14)10(15)6-8(7)13/h5-6,11H,2-4,16H2,1H3.
What are the key properties of (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine?
(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 245.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).