(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine

C11H17F2NO — CID 102653305

IUPAC(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2NO/c12-11(13)5-3-8(4-6-11)10(14)9-2-1-7-15-9/h2,8,10H,1,3-7,14H2
InChIKeyKVDARJRVKZOMJT-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.44
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine

(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine (PubChem CID 102653305) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
PubChem CID102653305
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2NO/c12-11(13)5-3-8(4-6-11)10(14)9-2-1-7-15-9/h2,8,10H,1,3-7,14H2
InChIKeyKVDARJRVKZOMJT-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634
[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650320
3-(2,3-Dihydrofuran-5-yl)-3-fluorocyclohexan-1-amine
CID 102652380
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
N-[2,3-dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102652911
N-[2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102653006
N-[2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102653035
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine (CID 102653305) is (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine is NC(C1=CCCO1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is KVDARJRVKZOMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c12-11(13)5-3-8(4-6-11)10(14)9-2-1-7-15-9/h2,8,10H,1,3-7,14H2.
What are the key properties of (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine?
(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 217.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 102653305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).